Crystallography Open Database

Information card for entry 4322491

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Coordinates	4322491.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	O-ethylcysteinato(hydrotris(3,5-dimethyl-1-pyrazolyl)borato)nickel(II)
Formula	C21 H36 B N7 Ni O3 S
Calculated formula	C23 H31 B N7 Ni O3 S
Title of publication	Characteristics of Five-Coordinate Nickel-Cysteine Centers
Authors of publication	Patrick J. Desrochers; Russell W. Cutts; Phillip K. Rice; Melissa L. Golden; James B. Graham; Tosha M. Barclay; A. W. Cordes
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	5690 - 5694
a	7.8145 ± 0.0018 Å
b	24.201 ± 0.006 Å
c	7.9925 ± 0.0014 Å
α	90°
β	117.991 ± 0.016°
γ	90°
Cell volume	1334.7 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections	0.067
Weighted residual factors for significantly intense reflections	0.067
Goodness-of-fit parameter for significantly intense reflections	1.06
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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