Crystallography Open Database

Information card for entry 4506160

Preview

Coordinates	4506160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H16 Br2 Cl3 Hg N3 O0.5
Calculated formula	C19.5 H16 Br2 Cl3 Hg N3 O0.5
Title of publication	Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers
Authors of publication	Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3465
a	19.6356 ± 0.0009 Å
b	16.0764 ± 0.0008 Å
c	30.783 ± 0.003 Å
α	90°
β	101.453 ± 0.006°
γ	90°
Cell volume	9523.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2539
Weighted residual factors for all reflections included in the refinement	0.2762
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4506160.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506160.cif
62154	2012-07-07	cif/ Adding structures of 4506160 via cif-deposit CGI script.	4506160.cif