Crystallography Open Database

Information card for entry 4344572

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Coordinates	4344572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85 H86 Br8 Cl8 Co4 N34 O38
Calculated formula	C85 H86 Br8 Cl8 Co4 N34 O38
Title of publication	Redox Modulation of Spin Crossover within a Cobalt Metallogrid.
Authors of publication	Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	2
Pages of publication	902 - 908
a	21.917 ± 0.005 Å
b	28.88 ± 0.006 Å
c	22.603 ± 0.005 Å
α	90°
β	95.637 ± 0.006°
γ	90°
Cell volume	14238 ± 5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.1914
Residual factor for significantly intense reflections	0.1113
Weighted residual factors for significantly intense reflections	0.2873
Weighted residual factors for all reflections included in the refinement	0.3339
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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