Crystallography Open Database

Information card for entry 4349485

Preview

Coordinates	4349485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 N8 Na4 O4
Calculated formula	C72 H60 N8 Na4 O4
SMILES	[O]123c4c5[n]6c(C=[N](c7c(cccc7C)C)[Na]726[O]26c8c9[n]%10c(C=[N](c%11c(cccc%11C)C)[Na]12%10[O]12c%10c%11[n]%12c(C=[N](c%13c(C)cccc%13C)[Na]32%12[O]27c3c7[n]%12c(ccc7ccc3)C=[N](c3c(cccc3C)C)[Na]612%12)ccc%11ccc%10)ccc9ccc8)ccc5ccc4
Title of publication	Sodium iminoquinolates with cubic and hexagonal prismatic motifs: synthesis, characterization and their catalytic behavior toward the ROP of rac-lactide
Authors of publication	Zhang, Qiurui; Zhang, Wenjuan; Wang, Shengdong; Solan, Gregory A.; Liang, Tongling; Rajendran, Natesan Mannangatti; Sun, Wen-Hua
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	9
Pages of publication	1178
a	14.787 ± 0.003 Å
b	15.067 ± 0.003 Å
c	18.853 ± 0.004 Å
α	81.79 ± 0.03°
β	71.41 ± 0.03°
γ	89.01 ± 0.03°
Cell volume	3938.6 ± 1.6 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 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	0.1438
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2331
Weighted residual factors for all reflections included in the refinement	0.2651
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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
234814 (current)	2019-11-23	cif/ Adding structures of 4349485, 4349486, 4349487, 4349488, 4349489, 4349490 via cif-deposit CGI script.	4349485.cif