Crystallography Open Database

Information card for entry 7003823

Preview

Structure parameters

Formula	C50 H66 N2 O2 P2
Calculated formula	C50 H66 N2 O2 P2
SMILES	P(Nc1ccccc1NP(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1.O1CCCC1
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	11.74 ± 0.002 Å
b	13.04 ± 0.003 Å
c	16.01 ± 0.003 Å
α	113.3 ± 0.03°
β	91.6 ± 0.03°
γ	92.2 ± 0.03°
Cell volume	2246.9 ± 0.9 Å³
Cell temperature	217 ± 2 K
Ambient diffraction temperature	217 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1541
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7003823.html