Crystallography Open Database

Information card for entry 7714703

Preview

Coordinates	7714703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 I7 N12 O6 Pr
Calculated formula	C36 H72 I7 N12 O6 Pr
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	11.6236 ± 0.0018 Å
b	11.6236 ± 0.0018 Å
c	12.2134 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	1429.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0513
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0412
Goodness-of-fit parameter for all reflections included in the refinement	0.703
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.	7714703.cif
288292	2023-12-14	cif/ Adding structures of 7714702, 7714703, 7714704, 7714705, 7714706, 7714707, 7714708, 7714709, 7714710 via cif-deposit CGI script.	7714703.cif