Crystallography Open Database

Information card for entry 4349487

Preview

Coordinates	4349487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H152 N12 Na6 O6
Calculated formula	C146 H152.428 N12 Na6 O6
SMILES	[Na]1234[O]56[Na]7([n]8c9c6cccc9ccc8/C=N/c6c(cccc6C(C)C)C(C)C)[O]68[Na]95[n]5c%10c(ccc5/C=N/c5c(cccc5C(C)C)C(C)C)cccc%10[O]49[Na]45[O]1(c1c9[n]3c(C=[N]2c2c(cccc2C(C)C)C(C)C)ccc9ccc1)[Na]12[O]4([Na]36([N](=Cc4[n]3c3c(cccc83)cc4)c3c(cccc3C(C)C)C(C)C)[O]72c2c3[n]1c(/C=N/c1c(cccc1C(C)C)C(C)C)ccc3ccc2)c1c2[n]5c(/C=N/c3c(cccc3C(C)C)C(C)C)ccc2ccc1.c1(ccccc1)C.c1(ccccc1)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	14.507 ± 0.003 Å
b	16.694 ± 0.003 Å
c	17 ± 0.003 Å
α	100.84 ± 0.03°
β	105.1 ± 0.03°
γ	115.3 ± 0.03°
Cell volume	3376 ± 2 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	0.0953
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.1924
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
234814 (current)	2019-11-23	cif/ Adding structures of 4349485, 4349486, 4349487, 4349488, 4349489, 4349490 via cif-deposit CGI script.	4349487.cif