Crystallography Open Database

Information card for entry 2214328

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Structure parameters

Chemical name	1,2-Bis(dicyclohexylphosphino)-1,2-dicarba-closo-dodecaborane
Formula	C26 H54 B10 P2
Calculated formula	C26 H54 B10 P2
SMILES	[BH]1234[BH]567[BH]89%10[BH]%11%125[BH]516[BH]164[BH]4%13%14[BH]9%11([BH]%1256%13)[C]5%10%14([C]278(P(C2CCCCC2)C2CCCCC2)[BH]3145)P(C1CCCCC1)C1CCCCC1
Title of publication	1,2-Bis(dicyclohexylphosphino)-1,2-dicarba-<i>closo</i>-dodecaborane
Authors of publication	Fang-Fang Su; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	o3335 - o3335
a	21.507 ± 0.002 Å
b	10.035 ± 0.0014 Å
c	15.2976 ± 0.0018 Å
α	90°
β	103.196 ± 0.002°
γ	90°
Cell volume	3214.4 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0997
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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