Crystallography Open Database

Information card for entry 4314753

Preview

Coordinates	4314753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H92 B2 Co0.8 F8 Fe0.2 N6 O3
Calculated formula	C64 H92 B2 Co F8 N6 O3
Title of publication	Stabilization of Long-Lived Metastable State in Long Alkylated Spin-Crossover Cobalt(II) Compound
Authors of publication	Shinya Hayami; Daisuke Urakami; Yoshihiro Kojima; Hokuto Yoshizaki; Yuuki Yamamoto; Kazuya Kato; Akira Fuyuhiro; Satoshi Kawata; Katsuya Inoue
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1428 - 1432
a	8.781 ± 0.006 Å
b	19.894 ± 0.014 Å
c	19.963 ± 0.014 Å
α	112.048 ± 0.013°
β	98.065 ± 0.014°
γ	93.067 ± 0.013°
Cell volume	3179 ± 4 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1908
Residual factor for significantly intense reflections	0.0989
Weighted residual factors for significantly intense reflections	0.2384
Weighted residual factors for all reflections included in the refinement	0.283
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4314753.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314753.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314753.cif
7896	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314753 via cif-deposit CGI script.	4314753.cif