Crystallography Open Database

Information card for entry 4327427

Preview

Coordinates	4327427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.5 H38 Cl3.5 Hg N8 O4
Calculated formula	C41.5 H38 Cl3.5 Hg N8 O4
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	17.305 ± 0.002 Å
b	17.305 ± 0.002 Å
c	15.158 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4539.3 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.115
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4327427.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327427.cif
61198	2012-06-25	cif/ Adding structures of 4327427 via cif-deposit CGI script.	4327427.cif