Crystallography Open Database

Information card for entry 4319997

4319996 << 4319997 >> 4319998

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Coordinates	4319997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 Co N2 O8
Calculated formula	C18 H20 Co N2 O8
Title of publication	Synthesis and Single Crystal Investigation of Two-Dimensional Rectangular Network [M(4,4'-bpy) (Phth)(H2O)]n.2H2O with Small Neutral Cavities
Authors of publication	Eringathodi Suresh; Kamla Boopalan; Raksh Vir Jasra; Mohan Madhav Bhadbhade
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	4078 - 4080
a	7.596 ± 0.003 Å
b	11.309 ± 0.003 Å
c	10.77 ± 0.002 Å
α	90°
β	92.51 ± 0.02°
γ	90°
Cell volume	924.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1383
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179279 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99.	4319997.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4319997.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319997.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319997.cif
16828	2011-03-29	../uploads/cif-deposit/cod/cif Adding structures of 4319997 via cif-deposit CGI script.	4319997.cif