Crystallography Open Database

Information card for entry 4084512

Preview

Coordinates	4084512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 Ca1.5 N6 P3
Calculated formula	C30 H54 Ca1.5 N6 P3
Title of publication	Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes
Authors of publication	Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	6013
a	16.638 ± 0.006 Å
b	22.436 ± 0.009 Å
c	21.756 ± 0.008 Å
α	90°
β	104.926 ± 0.006°
γ	90°
Cell volume	7847 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1544
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1371
Weighted residual factors for all reflections included in the refinement	0.1741
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4084512.cif
127207	2014-11-12	cif/ Updating files of 4084511, 4084512, 4084513 Original log message: Adding full bibliography for 4084511--4084513.cif.	4084512.cif
125412	2014-10-15	cif/ Adding structures of 4084511, 4084512, 4084513 via cif-deposit CGI script.	4084512.cif