Crystallography Open Database

Information card for entry 4108654

Preview

Coordinates	4108654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 N4 P2
Calculated formula	C42 H48 N4 P2
SMILES	P(P=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Carbene-Stabilized Diphosphorus
Authors of publication	Yuzhong Wang; Yaoming Xie; Pingrong Wei; R. Bruce King; Henry F. Schaefer, III; Paul v. R. Schleyer; Gregory H. Robinson
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14970 - 14971
a	28.49 ± 0.002 Å
b	17 ± 0.0013 Å
c	20.129 ± 0.003 Å
α	90°
β	127.102 ± 0.001°
γ	90°
Cell volume	7775.5 ± 1.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0871
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1403
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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