Crystallography Open Database

Information card for entry 7700003

Preview

Coordinates	7700003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C158 H210 Cl6 Mg4 N4 O44 P4
Calculated formula	C158 H210 Cl6 Mg4 N4 O44 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	10.4957 ± 0.0001 Å
b	20.6949 ± 0.0003 Å
c	21.1795 ± 0.0003 Å
α	87.483 ± 0.001°
β	76.573 ± 0.001°
γ	83.507 ± 0.001°
Cell volume	4445.16 ± 0.1 Å³
Cell temperature	148 ± 2 K
Ambient diffraction temperature	148 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1057
Weighted residual factors for all reflections included in the refinement	0.1115
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	7700003.cif