Crystallography Open Database

Information card for entry 4502713

Preview

Coordinates	4502713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cd4 N2 O15
Calculated formula	C24 H18 Cd4 N2 O15
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	10.82 ± 0.002 Å
b	11.416 ± 0.002 Å
c	12.432 ± 0.003 Å
α	87.44 ± 0.03°
β	72.45 ± 0.03°
γ	70.11 ± 0.03°
Cell volume	1373.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	4502713.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502713.cif
36533	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502713 via cif-deposit CGI script.	4502713.cif