Crystallography Open Database

Information card for entry 4327425

Preview

Coordinates	4327425.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 Hg2 I4 N8 O6
Calculated formula	C44 H44 Hg2 I4 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	9.3375 ± 0.0002 Å
b	12.1949 ± 0.0003 Å
c	13.2506 ± 0.0004 Å
α	104.646 ± 0.002°
β	103.34 ± 0.002°
γ	109.63 ± 0.001°
Cell volume	1289.84 ± 0.06 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	0.0661
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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.	4327425.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327425.cif
61196	2012-06-25	cif/ Adding structures of 4327425 via cif-deposit CGI script.	4327425.cif