Crystallography Open Database

Information card for entry 4503567

Preview

Coordinates	4503567.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H48 Cd2 N12 P2
Calculated formula	C74 H47.94 Cd2 N12 P2
Title of publication	A New Approach to TCNQ-Based Coordination Polymers via TCNQH2
Authors of publication	Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1123
a	12.6751 ± 0.0006 Å
b	12.6751 ± 0.0006 Å
c	32.243 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	4486.1 ± 0.5 Å³
Cell temperature	130 ± 1 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503567.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503567.cif
41634	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503567 via cif-deposit CGI script.	4503567.cif