Crystallography Open Database

Information card for entry 4505900

Preview

Coordinates	4505900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 N2 O6.5 Zn
Calculated formula	C25 H27 N2 O6.5 Zn
Title of publication	Entangled Metal‒Organic Frameworks ofm-Phenylenediacrylate Modulated by Bis(pyridyl) Ligands
Authors of publication	Sun, Qian; Wang, Yan-Qin; Cheng, Ai-Ling; Wang, Kun; Gao, En-Qing
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	5
Pages of publication	2234
a	18.8968 ± 0.0007 Å
b	16.8266 ± 0.0006 Å
c	16.1483 ± 0.0006 Å
α	90°
β	108.349 ± 0.001°
γ	90°
Cell volume	4873.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1681
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505900.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505900.cif
57368	2012-05-18	cif/ Adding structures of 4505900 via cif-deposit CGI script.	4505900.cif