Crystallography Open Database

Information card for entry 1529297

Preview

Coordinates	1529297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H54 Cl Cr N2 O6
Calculated formula	C38 H54 Cl Cr N2 O6
SMILES	[Cr]123(Cl)(Oc4c(cc(OC)cc4C[N]2(Cc2cc(OC)cc(c2O1)C(C)(C)C)Cc1[n]3cccc1)C(C)(C)C)[O]1CCCC1.O1CCCC1
Title of publication	Cyclohexene oxide/carbon dioxide copolymerization by chromium(iii) amino-bis(phenolato) complexes and MALDI-TOF MS analysis of the polycarbonates
Authors of publication	Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	35
Pages of publication	6305
a	17.119 ± 0.003 Å
b	11.491 ± 0.0018 Å
c	37.818 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7439 ± 2 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
155248 (current)	2015-09-08	cif/ Updating files of 1529295, 1529296, 1529297 Original log message: Adding full bibliography for 1529295--1529297.cif.	1529297.cif
152579	2015-07-28	cif/ Adding structures of 1529295, 1529296, 1529297 via cif-deposit CGI script.	1529297.cif