Crystallography Open Database

Information card for entry 7021795

Preview

Coordinates	7021795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136.5 H122.5 B2 Co N9.5 O5.5
Calculated formula	C136.5 H118.5 B2 Co N9.5 O5.5
Title of publication	Spin crossover in Co(ii) metallorods - replacing aliphatic tails by aromatic.
Authors of publication	Lee, Young Hoon; Won, Mi Seon; Harrowfield, Jack M.; Kawata, Satoshi; Hayami, Shinya; Kim, Yang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	32
Pages of publication	11507 - 11521
a	16.3925 ± 0.0004 Å
b	20.3627 ± 0.0004 Å
c	20.4063 ± 0.0004 Å
α	100.621 ± 0.001°
β	111.949 ± 0.001°
γ	106.731 ± 0.001°
Cell volume	5714.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.2259
Weighted residual factors for all reflections included in the refinement	0.2511
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021795.cif
87691	2013-08-27	cif/ Adding structures of 7021795, 7021796 via cif-deposit CGI script.	7021795.cif