Crystallography Open Database

Information card for entry 4120435

4120434 << 4120435 >> 4120436

Preview

Coordinates	4120435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Cl Cu N7 O6
Calculated formula	C17 H23 Cl Cu N7 O6
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	21.088 ± 0.012 Å
b	7.861 ± 0.005 Å
c	15.11 ± 0.009 Å
α	90°
β	123.989 ± 0.006°
γ	90°
Cell volume	2077 ± 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	0.1284
Residual factor for significantly intense reflections	0.115
Weighted residual factors for significantly intense reflections	0.3289
Weighted residual factors for all reflections included in the refinement	0.338
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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.	4120435.cif
106483	2014-03-15	cif/ Adding structures of 4120432, 4120433, 4120434, 4120435, 4120436 via cif-deposit CGI script.	4120435.cif