Crystallography Open Database

Information card for entry 2017616

2017615 << 2017616 >> 2017617

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Coordinates	2017616.cif
Structure factors	2017616.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ- croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]
Formula	C15 H12 Mn N2 O7
Calculated formula	C15 H12 Mn N2 O7
SMILES	[Mn]12([OH2])([n]3ccccc3c3[n]2cccc3)[O]=C2C(O1)=C1C(C2=O)=[O][Mn]23(O1)([OH2])([O]=C1C(O3)=C([O-])C(=O)C1=O)[n]1ccccc1c1[n]2cccc1.O.O
Title of publication	Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-croconato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>'''] monohydrate]: a one-dimensional coordination polymer connected by hydrophilic‒hydrophilic and lipophilic‒lipophilic interactions at 135K
Authors of publication	Chen, Hong-Feng; Fang, Qi; Chen, Hong-Yu; Yu, Wen-Tao; Weng, Lin-Hong
Journal of publication	Acta Crystallographica Section C
Year of publication	2010
Journal volume	66
Journal issue	4
Pages of publication	m97 - m100
a	11.3363 ± 0.0002 Å
b	9.3622 ± 0.0001 Å
c	14.4053 ± 0.0002 Å
α	90°
β	104.846 ± 0.0006°
γ	90°
Cell volume	1477.84 ± 0.04 Å³
Cell temperature	135 ± 1 K
Ambient diffraction temperature	135 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
180845 (current)	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 2/01/76.	2017616.cif 2017616.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2017616.cif 2017616.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2017616.cif 2017616.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.	2017616.cif 2017616.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2017616.cif 2017616.hkl
1157	2010-05-06	hkl/ Adding Fobs data for the recent IUCr deposition.	2017616.cif 2017616.hkl
1146	2010-05-03	cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition.	2017616.cif