Crystallography Open Database

Information card for entry 4120436

4120435 << 4120436 >> 4120437

Preview

Coordinates	4120436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H51 Cl2 Cu2 N15 O11
Calculated formula	C39 H51 Cl2 Cu2 N15 O11
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	7.4576 ± 0.0012 Å
b	11.4553 ± 0.0018 Å
c	15.173 ± 0.002 Å
α	100.375 ± 0.012°
β	92.657 ± 0.012°
γ	107.116 ± 0.011°
Cell volume	1211.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1625
Residual factor for significantly intense reflections	0.0956
Weighted residual factors for significantly intense reflections	0.2426
Weighted residual factors for all reflections included in the refinement	0.291
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4120436.cif
106483	2014-03-15	cif/ Adding structures of 4120432, 4120433, 4120434, 4120435, 4120436 via cif-deposit CGI script.	4120436.cif