Crystallography Open Database

Information card for entry 4500988

Preview

Coordinates	4500988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H54 Cd N4 O29
Calculated formula	C52 H38 Cd N4 O29
Title of publication	A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties
Authors of publication	Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	8
Pages of publication	3609
a	14.8271 ± 0.0007 Å
b	14.287 ± 0.0007 Å
c	27.5557 ± 0.0014 Å
α	90°
β	97.689 ± 0.005°
γ	90°
Cell volume	5784.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1768
Residual factor for significantly intense reflections	0.0841
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1844
Goodness-of-fit parameter for all reflections included in the refinement	1.155
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.	4500988.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500988.cif
34716	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500983, 4500984, 4500985, 4500986, 4500987, 4500988 via cif-deposit CGI script.	4500988.cif