Crystallography Open Database

Information card for entry 4084623

Preview

Coordinates	4084623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 N2 P4 Zn
Calculated formula	C36 H48 N2 P4 Zn
SMILES	[Zn]12(P(=N[P]1(c1ccccc1)c1ccccc1)(C(C)C)C(C)C)P(=N[P]2(c1ccccc1)c1ccccc1)(C(C)C)C(C)C
Title of publication	Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines
Authors of publication	Dickie, Diane A.; Kemp, Richard A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6511
a	12.6683 ± 0.001 Å
b	20.4452 ± 0.0014 Å
c	14.5846 ± 0.0011 Å
α	90°
β	92.207 ± 0.005°
γ	90°
Cell volume	3774.7 ± 0.5 Å³
Cell temperature	228 ± 2 K
Ambient diffraction temperature	228 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178735 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46.	4084623.cif
131431	2015-02-07	cif/ Updating files of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 Original log message: Adding full bibliography for 4084620--4084627.cif.	4084623.cif
126214	2014-11-04	cif/ Adding structures of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 via cif-deposit CGI script.	4084623.cif