Crystallography Open Database

Information card for entry 7024497

Preview

Coordinates	7024497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Fe Hg N S2
Calculated formula	C22 H25 Fe Hg N S2
Title of publication	Syntheses, crystal, photoluminescence and electrochemical investigation of some new phenylmercury(II) dithiocarbamate complexes involving ferrocene.
Authors of publication	Singh, Nanhai; Kumar, Abhinav; Prasad, Rajendra; Molloy, Kieran C.; Mahon, Mary F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	10
Pages of publication	2667 - 2675
a	9.4157 ± 0.0002 Å
b	12.9206 ± 0.0003 Å
c	17.6156 ± 0.0005 Å
α	90°
β	99.553 ± 0.001°
γ	90°
Cell volume	2113.33 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1165
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2455
Weighted residual factors for all reflections included in the refinement	0.2583
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
179949 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/44.	7024497.cif
92536	2014-01-12	cif/ Adding structures of 7024495, 7024496, 7024497, 7024498 via cif-deposit CGI script.	7024497.cif