Crystallography Open Database

Information card for entry 4505350

Preview

Coordinates	4505350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H13 Cl2 Cu Hg N5
Calculated formula	C6 H13 Cl2 Cu Hg N5
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	15.7274 ± 0.0018 Å
b	8.6102 ± 0.0008 Å
c	19.2642 ± 0.0017 Å
α	90°
β	97.735 ± 0.008°
γ	90°
Cell volume	2584.9 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	A 1 2/a 1
Hall space group symbol	-A 2ya
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections included in the refinement	0.0269
Goodness-of-fit parameter for all reflections included in the refinement	1.2321
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.	4505350.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505350.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.	4505350.cif