Crystallography Open Database

Information card for entry 4326967

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Coordinates	4326967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H38 Cl2 N4 O4 Ru S
Calculated formula	C50 H38 Cl2 N4 O4 Ru S
Title of publication	Ruthenium Complexes of Thiaporphyrin and Dithiaporphyrin
Authors of publication	Chuan-Hung Chuang; Chen-Kuo Ou; Shan-Tung Liu; Anil Kumar; Wei-Min Ching; Pei-Chun Chiang; Mira Anne C. dela Rosa; Chen-Hsiung Hung
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	11947 - 11957
a	22.6857 ± 0.0013 Å
b	17.1532 ± 0.0011 Å
c	15.5257 ± 0.0009 Å
α	90°
β	119.145 ± 0.001°
γ	90°
Cell volume	5276.6 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1885
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	0.751
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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