Crystallography Open Database

Information card for entry 4327424

Preview

Coordinates	4327424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 Br4 Hg2 N8 O6
Calculated formula	C44 H44 Br4 Hg2 N8 O6
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	9.385 ± 0.0004 Å
b	12.2421 ± 0.0006 Å
c	12.9873 ± 0.0008 Å
α	104.566 ± 0.002°
β	103.513 ± 0.002°
γ	111.298 ± 0.003°
Cell volume	1255.11 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4327424.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327424.cif
61195	2012-06-25	cif/ Adding structures of 4327424 via cif-deposit CGI script.	4327424.cif