Crystallography Open Database

Information card for entry 7714705

Preview

Coordinates	7714705.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H72 Ca F6 N12 O12 S2
Calculated formula	C38 H72 Ca F6 N12 O12 S2
Title of publication	Coordination chemistry effects of the space-demanding solvent molecule <i>N</i>,<i>N</i>'-dimethylpropyleneurea.
Authors of publication	Lundberg, Daniel; Lindqvist-Reis, Patric; Łyczko, Krzysztof; Eriksson, Lars; Persson, Ingmar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1817 - 1832
a	13.532 ± 0.002 Å
b	13.532 ± 0.002 Å
c	8.7287 ± 0.0014 Å
α	90 ± 0.003°
β	90 ± 0.003°
γ	120 ± 0.003°
Cell volume	1384.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.237
Residual factor for significantly intense reflections	0.1299
Weighted residual factors for significantly intense reflections	0.3313
Weighted residual factors for all reflections included in the refinement	0.3683
Goodness-of-fit parameter for all reflections included in the refinement	1.463
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
289510 (current)	2024-02-04	cif/ Updating files of 7714702, 7714703, 7714704, 7714705, 7714706, 7714707, 7714708, 7714709, 7714710 Original log message: Adding full bibliography for 7714702--7714710.cif.	7714705.cif
288292	2023-12-14	cif/ Adding structures of 7714702, 7714703, 7714704, 7714705, 7714706, 7714707, 7714708, 7714709, 7714710 via cif-deposit CGI script.	7714705.cif