Crystallography Open Database

Information card for entry 1571720

Preview

Coordinates	1571720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H22 Mg N4 O14
Calculated formula	C10 H22 Mg N4 O14
SMILES	[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C1C=CNC=C1.O=C1C=CNC=C1.O=N(=O)[O-].O=N(=O)[O-]
Title of publication	Crystal clear: unveiling giant birefringence in organic–inorganic cocrystals
Authors of publication	Li, Yang; Ok, Kang Min
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	26
Pages of publication	10193 - 10199
a	24.6517 ± 0.0011 Å
b	6.4107 ± 0.0003 Å
c	26.2782 ± 0.0012 Å
α	90°
β	106.673 ± 0.002°
γ	90°
Cell volume	3978.3 ± 0.3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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
292876 (current)	2024-07-05	cif/ Updating files of 1571720, 1571721, 1571722 Original log message: Adding full bibliography for 1571720--1571722.cif.	1571720.cif
292054	2024-05-28	cif/ Adding structures of 1571720, 1571721, 1571722 via cif-deposit CGI script.	1571720.cif