Crystallography Open Database

Information card for entry 4505344

Preview

Coordinates	4505344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 Cl2 Hg Mn N6
Calculated formula	C22 H16 Cl2 Hg Mn N6
SMILES	C(#N)[Hg]1(C#N)[Cl][Mn]23([n]4ccccc4c4cccc[n]24)([n]2ccccc2c2cccc[n]32)[Cl]1
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	16.0707 ± 0.0015 Å
b	9.014 ± 0.001 Å
c	16.252 ± 0.002 Å
α	90°
β	90.127 ± 0.008°
γ	90°
Cell volume	2354.3 ± 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	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for all reflections included in the refinement	0.0252
Goodness-of-fit parameter for all reflections included in the refinement	1.0768
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
270074 (current)	2021-10-24	cif/4 Fixing Z values and formulae	4505344.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.	4505344.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505344.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.	4505344.cif