Crystallography Open Database

Information card for entry 4505351

Preview

Coordinates	4505351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.02 H18 Cl2.98 Cu Hg2 N7.02
Calculated formula	C9.023 H18 Cl2.977 Cu Hg2 N7.023
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	7.837 ± 0.002 Å
b	17.148 ± 0.002 Å
c	14.423 ± 0.002 Å
α	90°
β	95.67 ± 0.02°
γ	90°
Cell volume	1928.8 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for all reflections included in the refinement	0.0329
Goodness-of-fit parameter for all reflections included in the refinement	1.4333
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.	4505351.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505351.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.	4505351.cif