Crystallography Open Database

Information card for entry 7714704

Preview

Coordinates	7714704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 Ca I2 N12 O6
Calculated formula	C36 H72 Ca I2 N12 O6
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	12.9549 ± 0.0018 Å
b	12.9549 ± 0.0018 Å
c	8.5602 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	1244.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7714704.cif
288292	2023-12-14	cif/ Adding structures of 7714702, 7714703, 7714704, 7714705, 7714706, 7714707, 7714708, 7714709, 7714710 via cif-deposit CGI script.	7714704.cif