Crystallography Open Database

Information card for entry 4300185

Preview

Coordinates	4300185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H51 B Cl Fe N9
Calculated formula	C59.96 H48 B Cl Fe N8.96
Title of publication	Structural Trends in First-Row Transition-Metal Bis(benzimidazole) Complexes
Authors of publication	Pramatha Payra; Huichang Zhang; Wai Him Kwok; Maosheng Duan; Judith Gallucci; Michael K. Chan
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1076 - 1080
a	13.0776 ± 0.0003 Å
b	13.3976 ± 0.0002 Å
c	15.5236 ± 0.0003 Å
α	72.086 ± 0.001°
β	75.9 ± 0.001°
γ	84.375 ± 0.001°
Cell volume	2509.25 ± 0.09 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for all reflections	0.0987
Weighted residual factors for significantly intense reflections	0.0863
Goodness-of-fit parameter for all reflections	1.061
Goodness-of-fit parameter for significantly intense reflections	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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