Crystallography Open Database

Information card for entry 4337143

Preview

Coordinates	4337143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H48 N8 O8 Re2
Calculated formula	C65 H48 N8 O8 Re2
SMILES	C(#[O])[Re]12(C#[O])(C#[O])[n]3c(c4c(cccc4)O2)n(c2c3cccc2)Cc2c(c(c(cc2C)C)Cn2c3ccccc3[n]3c2c2ccccc2O[Re]3(C#[O])(C#[O])(C#[O])[n]2cn(c3c2cccc3)Cc2cccc(c2)Cn2c3ccccc3[n]1c2)C
Title of publication	Luminescent dirhenium(i)-double-heterostranded helicate and mesocate.
Authors of publication	Shankar, Bhaskaran; Sahu, Saugata; Deibel, Naina; Schweinfurth, David; Sarkar, Biprajit; Elumalai, Palani; Gupta, Deepak; Hussain, Firasat; Krishnamoorthy, Govindarajan; Sathiyendiran, Malaichamy
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	922 - 930
a	12.302 ± 0.005 Å
b	15.165 ± 0.005 Å
c	18.904 ± 0.005 Å
α	83.977 ± 0.005°
β	74.106 ± 0.005°
γ	69.732 ± 0.005°
Cell volume	3181.7 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0886
Weighted residual factors for significantly intense reflections	0.2306
Weighted residual factors for all reflections included in the refinement	0.2474
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
179474 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71.	4337143.cif
106180	2014-03-15	cif/ Adding structures of 4337143 via cif-deposit CGI script.	4337143.cif