Crystallography Open Database

Information card for entry 7024656

Preview

Coordinates	7024656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H37 N5 O2
Calculated formula	C51 H35 N5 O2
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	10.856 ± 0.002 Å
b	12.509 ± 0.003 Å
c	14.273 ± 0.003 Å
α	84.284 ± 0.003°
β	80.731 ± 0.003°
γ	86.415 ± 0.003°
Cell volume	1901.3 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
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.	7024656.cif
92613	2014-01-12	cif/ Adding structures of 7024656, 7024657, 7024658 via cif-deposit CGI script.	7024656.cif