Crystallography Open Database

Information card for entry 4502550

Preview

Coordinates	4502550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H56 Cd2 N4 O14
Calculated formula	C45 H56 Cd2 N4 O14
Title of publication	Two Thermostable Three-Dimensional Homochiral Metal−Organic Polymers with Quartz Topology
Authors of publication	Liang, Li-Li; Ren, Shi-Bin; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	3
Pages of publication	1307
a	13.2749 ± 0.0009 Å
b	18.8649 ± 0.0013 Å
c	9.7598 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2444.1 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4502550.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502550.cif
36471	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502550 via cif-deposit CGI script.	4502550.cif