Crystallography Open Database

Information card for entry 7700001

Preview

Coordinates	7700001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H95 Mg2 N2 O18 P2
Calculated formula	C78 H95 Mg2 N2 O18 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	31.61 ± 0.006 Å
b	10.344 ± 0.002 Å
c	23.225 ± 0.005 Å
α	90°
β	91.52 ± 0.03°
γ	90°
Cell volume	7591 ± 3 Å³
Cell temperature	119 ± 2 K
Ambient diffraction temperature	119 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.168
Residual factor for significantly intense reflections	0.1476
Weighted residual factors for significantly intense reflections	0.3547
Weighted residual factors for all reflections included in the refinement	0.368
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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.	7700001.cif