Crystallography Open Database

Information card for entry 4505348

Preview

Coordinates	4505348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H11 Cl2 Cu Hg N5
Calculated formula	C17 H11 Cl2 Cu Hg N5
SMILES	[Hg](C#N)C#N.[Cu]12(Cl)(Cl)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1
Title of publication	Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations
Authors of publication	Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B.
Journal of publication	Crystal Growth & Design
Year of publication	2004
Journal volume	4
Journal issue	3
Pages of publication	621
a	7.3434 ± 0.0009 Å
b	9.51 ± 0.001 Å
c	13.3533 ± 0.0017 Å
α	85.57 ± 0.01°
β	82.47 ± 0.01°
γ	87.594 ± 0.008°
Cell volume	921.25 ± 0.19 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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 significantly intense reflections	0.0174
Weighted residual factors for all reflections included in the refinement	0.0222
Goodness-of-fit parameter for all reflections included in the refinement	1.319
Diffraction radiation wavelength	0.7093 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.	4505348.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505348.cif
51397	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505344, 4505345, 4505346, 4505347, 4505348, 4505349, 4505350, 4505351, 4505352 via cif-deposit CGI script.	4505348.cif