Crystallography Open Database

Information card for entry 4120434

4120433 << 4120434 >> 4120435

Preview

Coordinates	4120434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 Cl Cu N7 O6
Calculated formula	C16 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	7.3259 ± 0.0008 Å
b	21.889 ± 0.002 Å
c	30.024 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4814.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.1384
Residual factor for significantly intense reflections	0.1288
Weighted residual factors for significantly intense reflections	0.3591
Weighted residual factors for all reflections included in the refinement	0.3659
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
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.	4120434.cif
106483	2014-03-15	cif/ Adding structures of 4120432, 4120433, 4120434, 4120435, 4120436 via cif-deposit CGI script.	4120434.cif