Crystallography Open Database

Information card for entry 8106100

Preview

Coordinates	8106100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H38 B10 Br2 Ni P2
Calculated formula	C14 H38 B10 Br2 Ni P2
SMILES	[Ni]1(Br)(Br)[P]([C]2345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%152([BH]2%16%13[BH]%13%10%12[BH]%1079[BH]736[BH]4%152[BH]%16%13%107)[C]58%11%14[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
Title of publication	Crystal structure of dibromido[(1,2-bis(diisopropylphosphino)-1,2-dicarba-closo-dodecaborane-κ2 P,P′]nickel(II), C14H38B10NiBr2P2
Authors of publication	Liguo, Yang; Qingyun, Liu; Xin, Wang; Qianqian, Gao; Yuqiang, Dai
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	205 - 207
a	10.192 ± 0.0014 Å
b	19.055 ± 0.002 Å
c	13.5243 ± 0.0017 Å
α	90°
β	103.394 ± 0.002°
γ	90°
Cell volume	2555.1 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1048
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0728
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279294 (current)	2022-11-15	cif/ Adding structures of 8106100 via cif-deposit CGI script.	8106100.cif