Crystallography Open Database

Information card for entry 7004145

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Coordinates	7004145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H62 Cl3 N16 Ni2 O14.5
Calculated formula	C57 H61 Cl3 N16 Ni2 O14.5
Title of publication	Dinickel complexes of disubstituted benzoate polydentate ligands: mimics for the active site of urease
Authors of publication	Lee, Way-Zen; Tseng, Huan-Sheng; Ku, Meng-Yu; Kuo, Ting-Shen
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	19
Pages of publication	2538 - 2541
a	21.914 ± 0.0007 Å
b	26.534 ± 0.0011 Å
c	13.936 ± 0.0005 Å
α	90°
β	119.74 ± 0.002°
γ	90°
Cell volume	7036 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1276
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.1999
Weighted residual factors for all reflections included in the refinement	0.2356
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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