Crystallography Open Database

Information card for entry 4502744

Preview

Coordinates	4502744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H76 N6 Ni2 O17
Calculated formula	C78 H76 N6 Ni2 O17
Title of publication	A Series of Four-Connected Entangled Metal‒Organic Frameworks Assembled from Pamoic Acid and Pyridine-Containing Ligands: Interpenetrating, Self-Penetrating, and Supramolecular Isomerism
Authors of publication	Wang, Suna; Yun, Ruirui; Peng, Yanqiang; Zhang, Qingfu; Lu, Jing; Dou, Jianmin; Bai, Junfeng; Li, Dacheng; Wang, Daqi
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	79
a	13.983 ± 0.0012 Å
b	29.496 ± 0.003 Å
c	34.577 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	14261 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.2803
Residual factor for significantly intense reflections	0.1815
Weighted residual factors for significantly intense reflections	0.4329
Weighted residual factors for all reflections included in the refinement	0.4953
Goodness-of-fit parameter for all reflections included in the refinement	1.365
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.	4502744.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502744.cif
37745	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502744 via cif-deposit CGI script.	4502744.cif