Crystallography Open Database

Information card for entry 4118071

Preview

Coordinates	4118071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H30 N2 O16 P2 Zn2
Calculated formula	C36 H26 N4 O16 P2 Zn2
Title of publication	From Stimuli-Responsive Polymorphic Organic Dye Crystals to Photoluminescent Cationic Open-Framework Metal Phosphate
Authors of publication	Yu-Chuan Chang; Sue-Lein Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	9848 - 9851
a	9.2671 ± 0.0005 Å
b	17.1198 ± 0.0009 Å
c	24.8416 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3941.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
178951 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/80.	4118071.cif
75216	2013-03-08	cif/ Adding structures of 4118071 via cif-deposit CGI script.	4118071.cif