Crystallography Open Database

Information card for entry 7023440

Preview

Coordinates	7023440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H40 Cl4 Hg2 N8 O2
Calculated formula	C50 H40 Cl4 Hg2 N8 O2
SMILES	c1[n]2[Hg]3([N]4=C(c2ccc1)[C@@](c1ccccn1)(N(c1c4cccc1)c1ccccc1)OC)(Cl)[Cl][Hg]1([n]2ccccc2C2[C@@](c4ccccn4)(N(c4c([N]1=2)cccc4)c1ccccc1)OC)([Cl]3)Cl.c1[n]2[Hg]3([N]4=C(c2ccc1)[C@](c1ccccn1)(N(c1c4cccc1)c1ccccc1)OC)(Cl)[Cl][Hg]1([n]2ccccc2C2[C@](c4ccccn4)(N(c4c([N]1=2)cccc4)c1ccccc1)OC)([Cl]3)Cl
Title of publication	Mono- and di-nuclear photoluminescent complexes of zinc(II), cadmium(II) and mercury(II) of a chiral diimine ligand.
Authors of publication	Kundu, Suman; Maity, Suvendu; Saha Sardar, Pinki; Ghosh, Sanjib; Ghosh, Prasanta
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	13026 - 13035
a	30.948 ± 0.004 Å
b	9.0839 ± 0.0011 Å
c	20.878 ± 0.003 Å
α	90°
β	127.402 ± 0.004°
γ	90°
Cell volume	4662.6 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0836
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.2627
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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
179939 (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 7/02/34.	7023440.cif
90534	2013-11-18	cif/ Adding structures of 7023439, 7023440 via cif-deposit CGI script.	7023440.cif