Crystallography Open Database

Information card for entry 4318544

Preview

Coordinates	4318544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 N3 P
Calculated formula	C27 H36 N3 P
SMILES	P(c1ccccc1CN(C)C)(c1ccccc1CN(C)C)c1ccccc1CN(C)C
Title of publication	Pseudoheptacoordination and Pseudohexacoordination in Tris(2-N,N-dimethylbenzylamino)phosphane
Authors of publication	A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5235 - 5240
a	9.1686 ± 0.0003 Å
b	18.279 ± 0.0005 Å
c	15.4814 ± 0.0006 Å
α	90°
β	93.5637 ± 0.0011°
γ	90°
Cell volume	2589.55 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.297
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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