Crystallography Open Database

Information card for entry 4349494

Preview

Coordinates	4349494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl2 N4
Calculated formula	C24 H20 Cl2 N4
SMILES	Clc1nc2c(CCC3=C2Nc2c(NC43c3nc(Cl)ccc3CCC4)cccc2)cc1
Title of publication	Magnesium and aluminum complexes bearing bis(5,6,7-trihydro quinolyl)-fused benzodiazepines for ε-caprolactone polymerization
Authors of publication	Rajendran, Natesan Mannangatti; Xi, Yanxia; Zhang, Wenjuan; Braunstein, Pierre; Liang, Tongling; Sun, Wen-Hua
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	10
Pages of publication	1317
a	19.07 ± 0.003 Å
b	19.07 ± 0.003 Å
c	12.81 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4658.5 ± 1.5 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
234820 (current)	2019-11-23	cif/ Adding structures of 4349493, 4349494, 4349495, 4349496, 4349497 via cif-deposit CGI script.	4349494.cif