Crystallography Open Database

Information card for entry 7024658

Preview

Coordinates	7024658.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H33 Cl3 Ga N5 O3
Calculated formula	C52.5 H32.5 Cl1.5 Ga N5 O3
Title of publication	Intermediate (S = 1) spin state in five-coordinate cobalt(III): magnetic properties of N-o-hydroxy-benzamido-meso-tetraphenylporphyrin cobalt(III), Co(N-NCO(o-O)C6H4-tpp).
Authors of publication	Cho, Cheng-Hsiung; Chien, Ting-Yuan; Chen, Jyh-Horung; Wang, Shin-Shin; Tung, Jo-Yu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2609 - 2614
a	11.1417 ± 0.001 Å
b	13.6899 ± 0.0012 Å
c	14.9925 ± 0.0014 Å
α	81.5 ± 0.002°
β	84.29 ± 0.002°
γ	84.643 ± 0.002°
Cell volume	2243.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1108
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.2362
Weighted residual factors for all reflections included in the refinement	0.2526
Goodness-of-fit parameter for all reflections included in the refinement	1.535
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179951 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/46.	7024658.cif
92613	2014-01-12	cif/ Adding structures of 7024656, 7024657, 7024658 via cif-deposit CGI script.	7024658.cif