Crystallography Open Database

Information card for entry 4305494

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Coordinates	4305494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H38 N8 P2 Ru
Calculated formula	C56 H38 N8 P2 Ru
Title of publication	Primary and Secondary Phosphine Complexes of Iron Porphyrins and Ruthenium Phthalocyanine: Synthesis, Structure, and P-H Bond Functionalization
Authors of publication	Jie-Sheng Huang; Guang-Ao Yu; Jin Xie; Kwok-Ming Wong; Nianyong Zhu; Chi-Ming Che
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9166 - 9181
a	12.739 ± 0.003 Å
b	12.791 ± 0.003 Å
c	15.547 ± 0.003 Å
α	107.99 ± 0.03°
β	101.17 ± 0.03°
γ	97.94 ± 0.03°
Cell volume	2310 ± 1.1 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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