Crystallography Open Database

Information card for entry 4509778

Preview

Coordinates	4509778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N2 O4 Zn
Calculated formula	C21 H18 N2 O4 Zn
Title of publication	Syntheses, Structures, and Photoluminescence of a Series of d10Coordination Polymers with R-Isophthalate (R = −OH, −CH3, and −C(CH3)3)
Authors of publication	Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Yang, Guo-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5334
a	9.0324 ± 0.001 Å
b	16.1448 ± 0.0018 Å
c	14.7914 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2157 ± 0.4 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179633 (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 4/50/97.	4509778.cif
97491	2014-01-29	cif/ Adding structures of 4509778 via cif-deposit CGI script.	4509778.cif