Crystallography Open Database

Information card for entry 4502714

Preview

Coordinates	4502714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Cd2 N4 O8
Calculated formula	C34 H24 Cd2 N4 O8
Title of publication	A Unique Optical and Electrical Multifunctional Metal−Organic Framework Based on Polynuclear Rod-Shaped Secondary Building Units Constructed from a “Three Birds with One Stone” in Situ Reaction Process
Authors of publication	Xu, Xinxin; Zhang, Xia; Liu, Xiaoxia; Sun, Ting; Wang, Enbo
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	5
Pages of publication	2272
a	15.541 ± 0.003 Å
b	10.139 ± 0.002 Å
c	19.705 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3104.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1441
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
179558 (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 4/50/27.	4502714.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502714.cif
36534	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502714 via cif-deposit CGI script.	4502714.cif