Crystallography Open Database

Information card for entry 4500301

Preview

Coordinates	4500301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cd N4 O4
Calculated formula	C17 H14 Cd N4 O4
Title of publication	Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement
Authors of publication	Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1159
a	6.011 ± 0.0008 Å
b	17.257 ± 0.002 Å
c	14.755 ± 0.002 Å
α	90°
β	90.591 ± 0.003°
γ	90°
Cell volume	1530.5 ± 0.3 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	0.0427
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179534 (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 4/50/03.	4500301.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500301.cif
34440	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500299, 4500300, 4500301, 4500302, 4500303, 4500304 via cif-deposit CGI script.	4500301.cif