Crystallography Open Database

Information card for entry 7003819

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Structure parameters

Formula	C42 H50 N2 P2
Calculated formula	C42 H50 N2 P2
SMILES	c1(c(cc(cc1C)C)C)P(c1c(cc(cc1C)C)C)Nc1c(cccc1)NP(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Bis(phosphanylamino)benzene ligands: a zinc(ii) complex and an unusual nickel(i) complex with a Dewar-benzene-type Ni2P2N2 backbone
Authors of publication	Majoumo-Mbé, F.; Kühl, O.; Lönnecke, P.; Silaghi-Dumitrescu, I.; Hey-Hawkins, E.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	23
Pages of publication	3107 - 3114
a	10.6118 ± 0.0012 Å
b	12.6111 ± 0.0014 Å
c	14.9209 ± 0.0017 Å
α	83.586 ± 0.002°
β	83.405 ± 0.002°
γ	70.247 ± 0.002°
Cell volume	1861.2 ± 0.4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	0.945
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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