Crystallography Open Database

Information card for entry 4500304

Preview

Coordinates	4500304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cd N4 O5
Calculated formula	C18 H9 Cd N4 O5
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	10.3885 ± 0.0011 Å
b	16.1515 ± 0.0016 Å
c	11.3054 ± 0.0011 Å
α	90°
β	99.812 ± 0.002°
γ	90°
Cell volume	1869.2 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4500304.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500304.cif
34440	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500299, 4500300, 4500301, 4500302, 4500303, 4500304 via cif-deposit CGI script.	4500304.cif