Crystallography Open Database

Information card for entry 7019877

7019876 << 7019877 >> 7019878

Preview

Coordinates	7019877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.5 H44 Li2 N10
Calculated formula	C32 H40 Li2 N10
SMILES	[Li]123[n]4n(c(cc4C)C)Cc4[n]15c(cc4)Cn1c(C)cc(C)[n]1[Li]15[n]4n(c(cc4C)C)Cc4[n]12c(cc4)Cn1c(C)cc(C)[n]13
Title of publication	Mononuclear, helical binuclear palladium and lithium complexes bearing a new pyrrole-based NNN-pincer ligand: fluxional property.
Authors of publication	Ghorai, Debasish; Kumar, Shanish; Mani, Ganesan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	31
Pages of publication	9503 - 9512
a	19.371 ± 0.002 Å
b	11.72 ± 0.0014 Å
c	17.301 ± 0.002 Å
α	90°
β	97.893 ± 0.004°
γ	90°
Cell volume	3890.6 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
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	0.0889
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1593
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019877.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019877.cif
64337	2012-08-12	cif/ Adding structures of 7019875, 7019876, 7019877, 7019878, 7019879 via cif-deposit CGI script.	7019877.cif