Crystallography Open Database

Information card for entry 7700005

Preview

Coordinates	7700005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H188 Mg4 N8 O24 P4
Calculated formula	C168 H188 Mg4 N8 O24 P4
Title of publication	Modulation of the Nuclearity of Molecular Mg(II)-Phosphates: Solid-State Structural Change Involving Coordinating Solvents
Authors of publication	Santra, Biswajit; Narayanan, Suriya; Kalita, Pankaj; Kumar, Vierandra; Mandal, Debdeep; Gupta, Vivek; Zimmer, Michael; Huch, Volker; Chandrasekhar, Vadapalli; Scheschkewitz, David; Schulzke, Carola; Jana, Anukul
Journal of publication	Dalton Transactions
Year of publication	2019
a	29.9635 ± 0.001 Å
b	18.7967 ± 0.0005 Å
c	32.9183 ± 0.0011 Å
α	90°
β	120.91 ± 0.005°
γ	90°
Cell volume	15906.9 ± 1.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1459
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
215227 (current)	2019-05-17	cif/ Adding structures of 7700000, 7700001, 7700002, 7700003, 7700004, 7700005, 7700006 via cif-deposit CGI script.	7700005.cif