Crystallography Open Database

Information card for entry 7709200

Preview

Coordinates	7709200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H31 Cr0.5 Ir4 N8 O11 Sn
Calculated formula	C53 H31 Cr0.5 Ir4 N8 O11 Sn
Title of publication	Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties
Authors of publication	Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.
Journal of publication	Dalton Transactions
Year of publication	2022
a	23.9498 ± 0.0005 Å
b	15.1713 ± 0.0002 Å
c	14.5364 ± 0.0004 Å
α	90°
β	97.584 ± 0.002°
γ	90°
Cell volume	5235.6 ± 0.2 Å³
Cell temperature	129.9 ± 0.6 K
Ambient diffraction temperature	129.9 ± 0.6 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation probe	x-ray
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
271648 (current)	2021-12-30	cif/ Adding structures of 7709200, 7709201, 7709202, 7709203, 7709204, 7709205 via cif-deposit CGI script.	7709200.cif