Crystallography Open Database

Information card for entry 4120433

4120432 << 4120433 >> 4120434

Preview

Coordinates	4120433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 Cl2 Cu2 N16 O13
Calculated formula	C36 H52 Cl2 Cu2 N16 O13
Title of publication	Rotating phenyl rings as a guest-dependent switch in two-dimensional metal-organic frameworks.
Authors of publication	Murdock, Christopher R.; McNutt, Nicholas W.; Keffer, David J.; Jenkins, David M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	2
Pages of publication	671 - 678
a	21.5868 ± 0.001 Å
b	7.3214 ± 0.0003 Å
c	18.2301 ± 0.001 Å
α	90°
β	116.799 ± 0.003°
γ	90°
Cell volume	2571.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.113
Weighted residual factors for significantly intense reflections	0.3167
Weighted residual factors for all reflections included in the refinement	0.3414
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
178981 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/04.	4120433.cif
106483	2014-03-15	cif/ Adding structures of 4120432, 4120433, 4120434, 4120435, 4120436 via cif-deposit CGI script.	4120433.cif