Crystallography Open Database

Information card for entry 1500006

Preview

Coordinates	1500006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H21.5 Cl Co N11 O5.25
Calculated formula	C11 H21.5 Cl Co N11 O5.25
SMILES	[Co]12(N=N#N)(N=N#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.c1(C(=O)[O-])c(Cl)cc(N(=O)=O)cc1.O.O
Title of publication	Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions
Authors of publication	Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du
Journal of publication	Journal of Molecular Structure
Year of publication	2008
Journal volume	885
Pages of publication	7 - 14
a	21.9843 ± 0.0018 Å
b	8.7959 ± 0.0007 Å
c	23.0121 ± 0.0018 Å
α	90°
β	116.426 ± 0.001°
γ	90°
Cell volume	3984.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0433
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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