Crystallography Open Database

Information card for entry 1529295

Preview

Coordinates	1529295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H58 Cl Cr N2 O5
Calculated formula	C32 H50 Cl Cr N2 O5
SMILES	[Cr]123(Cl)(Oc4c(C(C)(C)C)cc(OC)cc4C[N]3(Cc3cc(OC)cc(c3O1)C(C)(C)C)CC[N]2(C)C)[O]1CCCC1
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	14.615 ± 0.01 Å
b	16.834 ± 0.012 Å
c	16.342 ± 0.013 Å
α	90°
β	112.456 ± 0.008°
γ	90°
Cell volume	3716 ± 5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1168
Residual factor for significantly intense reflections	0.0965
Weighted residual factors for significantly intense reflections	0.2448
Weighted residual factors for all reflections included in the refinement	0.2625
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1529295.cif
152579	2015-07-28	cif/ Adding structures of 1529295, 1529296, 1529297 via cif-deposit CGI script.	1529295.cif