Crystallography Open Database

Information card for entry 4346663

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Coordinates	4346663.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H33 Br Cl Mo N8 O2 Sn
Calculated formula	C47 H33 Br Cl Mo N8 O2 Sn
Title of publication	Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.
Authors of publication	Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	4
Pages of publication	1390 - 1402
a	12.5315 ± 0.0002 Å
b	13.2913 ± 0.0002 Å
c	13.5195 ± 0.0002 Å
α	91.901 ± 0.001°
β	92.247 ± 0.001°
γ	112.733 ± 0.001°
Cell volume	2072.43 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0387
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
231912 (current)	2019-11-23	cif/ Adding structures of 4346663, 4346664, 4346665, 4346666, 4346667, 4346668, 4346669 via cif-deposit CGI script.	4346663.cif