Crystallography Open Database

Information card for entry 7112705

Preview

Coordinates	7112705.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCM-11
Formula	C45 H33 Mg4 N O21 P2
Calculated formula	C45 H33 Mg4 N O21 P2
Title of publication	High capacity CO2 adsorption in a Mg(II)-based phosphine oxide coordination material.
Authors of publication	Bohnsack, Alisha M.; Ibarra, Ilich A.; Hatfield, Peter W.; Yoon, Ji Woong; Hwang, Young Kyu; Chang, Jong-San; Humphrey, Simon M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2011
Journal volume	47
Journal issue	17
Pages of publication	4899 - 4901
a	13.5792 ± 0.0004 Å
b	13.8958 ± 0.0004 Å
c	20.7478 ± 0.0006 Å
α	90°
β	104.882 ± 0.0013°
γ	90°
Cell volume	3783.66 ± 0.19 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.1098
Residual factor for significantly intense reflections	0.0783
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.2384
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112705.cif
111797	2014-04-28	cif/ Adding structures of 7112705 via cif-deposit CGI script.	7112705.cif