Crystallography Open Database

Information card for entry 4505347

Preview

Coordinates	4505347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Cl2 Hg N6 Ni
Calculated formula	C26 H16 Cl2 Hg N6 Ni
SMILES	c1ccc2ccc3ccc[n]4c3c2[n]1[Ni]124([Cl][Hg](C#N)(C#N)[Cl]2)[n]2cccc3ccc4ccc[n]1c4c23
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	8.088 ± 0.002 Å
b	8.742 ± 0.002 Å
c	17.763 ± 0.006 Å
α	90°
β	97.08 ± 0.02°
γ	90°
Cell volume	1246.4 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for all reflections included in the refinement	0.0445
Goodness-of-fit parameter for all reflections included in the refinement	0.9995
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270074 (current)	2021-10-24	cif/4 Fixing Z values and formulae	4505347.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505347.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505347.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.	4505347.cif