Crystallography Open Database

Information card for entry 4342222

Preview

Coordinates	4342222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H47 Cu Hg N3 O8
Calculated formula	C40 H47 Cu Hg N3 O8
Title of publication	Isolation of a Metastable Intermediate in a Heterometallic Cu(II)-Hg(II) 1D Polymeric Chain: Synthesis, Crystal Structure, and Photophysical Properties.
Authors of publication	Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1293 - 1299
a	10.3212 ± 0.0009 Å
b	13.1358 ± 0.0013 Å
c	16.0182 ± 0.0017 Å
α	66.804 ± 0.01°
β	79.65 ± 0.008°
γ	87.942 ± 0.007°
Cell volume	1962.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2284
Weighted residual factors for all reflections included in the refinement	0.2784
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179525 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22.	4342222.cif
132806	2015-03-04	cif/ Updating files of 4342221, 4342222, 4342223 Original log message: Adding full bibliography for 4342221--4342223.cif.	4342222.cif
130428	2015-02-04	cif/ Adding structures of 4342221, 4342222, 4342223 via cif-deposit CGI script.	4342222.cif