Crystallography Open Database

Information card for entry 7714702

Preview

Coordinates	7714702.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H60 I2 Mg N10 O5
Calculated formula	C30 H60 I2 Mg N10 O5
SMILES	[I-].[Mg]([O]=C1N(CCCN1C)C)([O]=C1N(CCCN1C)C)([O]=C1N(C)CCCN1C)([O]=C1N(C)CCCN1C)[O]=C1N(CCCN1C)C.[I-]
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	15.0348 ± 0.00019 Å
b	20.2696 ± 0.0002 Å
c	14.7659 ± 0.0002 Å
α	90°
β	116.798 ± 0.0017°
γ	90°
Cell volume	4016.63 ± 0.1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 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	0.0244
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7714702.cif
288292	2023-12-14	cif/ Adding structures of 7714702, 7714703, 7714704, 7714705, 7714706, 7714707, 7714708, 7714709, 7714710 via cif-deposit CGI script.	7714702.cif