Crystallography Open Database

Information card for entry 4500986

Preview

Coordinates	4500986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H70 Cu4 N8 O35
Calculated formula	C86 H64 Cu4 N8 O35
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	16.8478 ± 0.0008 Å
b	17.0353 ± 0.0009 Å
c	8.0615 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2313.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0809
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	0.707
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.	4500986.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500986.cif
34716	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500983, 4500984, 4500985, 4500986, 4500987, 4500988 via cif-deposit CGI script.	4500986.cif