Crystallography Open Database

Information card for entry 4349488

Preview

Coordinates	4349488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C186 H148 N8 Na4 O4
Calculated formula	C186 H148 N8 Na4 O4
SMILES	[Na]1234[O]5(c6c7[n]1c(C=[N]2c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C)ccc7ccc6)[Na]126[O]78[Na]9([n]%10c%11c(cccc7%11)ccc%10C=[N]9c7c(C(c9ccccc9)c9ccccc9)cc(cc7C(c7ccccc7)c7ccccc7)C)([O]31c1c3[n]2c(C=[N]6c2c(C(c6ccccc6)c6ccccc6)cc(cc2C(c2ccccc2)c2ccccc2)C)ccc3ccc1)[O]14[Na]258[n]3c4c(cccc14)ccc3C=[N]2c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C.c1c(cccc1)C.c1c(cccc1)C
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	31.79 ± 0.006 Å
b	18.998 ± 0.004 Å
c	30.209 ± 0.006 Å
α	90°
β	109.39 ± 0.03°
γ	90°
Cell volume	17210 ± 7 Å³
Cell temperature	173.15 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.134
Residual factor for significantly intense reflections	0.1047
Weighted residual factors for significantly intense reflections	0.2151
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.178
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.	4349488.cif