Crystallography Open Database

Information card for entry 8102678

Preview

Coordinates	8102678.cif

Structure parameters

Formula	C38 H38 Co N8 O14
Calculated formula	C38 H38 Co N8 O14
Title of publication	Crystal structure of diaquabis(3,5-bis(isonicotinamido)benzoato)cobalt(II) tetrahydrate, Co(H2O)2(C19H13N4O4)2 · 4H2O
Authors of publication	Yi-Fang Deng; Xiong-Wen Tan; Dai-Zhi Kuang; Man-Sheng Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	2
Pages of publication	301
a	17.8712 ± 0.0019 Å
b	10.6324 ± 0.0011 Å
c	21.773 ± 0.002 Å
α	90°
β	106.031 ± 0.001°
γ	90°
Cell volume	3976.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0992
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for significantly intense reflections	0.1667
Weighted residual factors for all reflections included in the refinement	0.1829
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102678.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102678.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102678.cif
13417	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102678 via cif-deposit CGI script.	8102678.cif