Crystallography Open Database

Information card for entry 2018087

2018086 << 2018087 >> 2018088

Preview

Coordinates	2018087.cif
Structure factors	2018087.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''- terpyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] 4.5-hydrate
Formula	C30 H35 Cu2 N6 O18.5 P4
Calculated formula	C30 H35 Cu2 N6 O18.5 P4
Title of publication	Bis[(dihydrogen pyrophosphato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')copper(II)] 4.5-hydrate
Authors of publication	Perec, Mireille; Baggio, Ricardo
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	5
Pages of publication	m140 - m144
a	11.2894 ± 0.0017 Å
b	13.539 ± 0.002 Å
c	13.606 ± 0.002 Å
α	73.915 ± 0.013°
β	78.438 ± 0.014°
γ	74.41 ± 0.012°
Cell volume	1906.8 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	2018087.cif 2018087.hkl
199607	2017-08-07	cif/2/ (antanas@kurmis) Marking attached hydrogen atoms in entries 2000262, 2000356, 2000357, 2000422, 2000780, 2001195, 2001296, 2003279, 2003960, 2004397, 2004457, 2004783, 2005019, 2005056, 2005368, 2005523, 2005899, 2006204, 2006548, 2007160, 2007319, 2007581, 2008361, 2008783, 2008795, 2008879, 2009155, 2009735, 2009825, 2010692, 2012493, 2012591, 2014003, 2014794, 2015478, 2016436, 2018087, 2020331, 2101730, 2102513, 2103420, 2104617, 2106950, 2201866, 2202250, 2202537, 2202783, 2205815, 2206800, 2207708, 2207764, 2210299, 2211561, 2212883, 2219285, 2220089, 2220776, 2227765, 2231323, 2232683, 2234124, 2241833, 2310504.	2018087.cif 2018087.hkl
180849	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80.	2018087.cif 2018087.hkl
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2018087.cif 2018087.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018087.cif 2018087.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018087.cif 2018087.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2018087.cif 2018087.hkl
22560	2011-07-04	hkl/ Adding Fobs files for the recent IUCr data deposition.	2018087.cif 2018087.hkl
20226	2011-06-03	../uploads/cif-deposit/cod/cif Adding structures of 2018087 via cif-deposit CGI script.	2018087.cif