Crystallography Open Database

Information card for entry 7700000

Preview

Coordinates	7700000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H114 Mg2 N8 O14 P2
Calculated formula	C108 H114 Mg2 N8 O14 P2
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	18.6977 ± 0.0005 Å
b	13.5431 ± 0.0004 Å
c	19.4511 ± 0.0006 Å
α	90°
β	104.515 ± 0.003°
γ	90°
Cell volume	4768.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
215227 (current)	2019-05-17	cif/ Adding structures of 7700000, 7700001, 7700002, 7700003, 7700004, 7700005, 7700006 via cif-deposit CGI script.	7700000.cif