Crystallography Open Database

Information card for entry 7700006

Preview

Coordinates	7700006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C288 H354 Cl2 Mg9 O77 P8
Calculated formula	C288 H354 Cl2 Mg9 O77 P8
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	29.2437 ± 0.0005 Å
b	29.2437 ± 0.0005 Å
c	22.028 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	18838.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1184
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2124
Weighted residual factors for all reflections included in the refinement	0.2286
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	7700006.cif