Crystallography Open Database

Information card for entry 4327428

Preview

Coordinates	4327428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H32 Hg I2 N4 O4.25
Calculated formula	C25 H32 Hg I2 N4 O4.25
Title of publication	Self-Assembly Using Dynamic Coordination Chemistry and Hydrogen Bonding: Mercury(II) Macrocycles, Polymers and Sheets
Authors of publication	Tara J. Burchell; Dana J. Eisler; Richard J. Puddephatt
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	5550 - 5557
a	26.824 ± 0.005 Å
b	10.116 ± 0.002 Å
c	24.316 ± 0.005 Å
α	90°
β	107.43 ± 0.03°
γ	90°
Cell volume	6295 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179377 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74.	4327428.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327428.cif
61199	2012-06-25	cif/ Adding structures of 4327428 via cif-deposit CGI script.	4327428.cif