Crystallography Open Database

Information card for entry 4300187

Preview

Coordinates	4300187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H71 Cl4 N19 Ni2 O19
Calculated formula	C74 H67 Cl4 N19 Ni2 O19
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	17.71 ± 0.004 Å
b	21.293 ± 0.004 Å
c	21.814 ± 0.003 Å
α	90°
β	106.74 ± 0.01°
γ	90°
Cell volume	7877 ± 3 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2187
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for all reflections	0.2306
Weighted residual factors for significantly intense reflections	0.1694
Goodness-of-fit parameter for all reflections	1.034
Goodness-of-fit parameter for significantly intense reflections	1.288
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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