Crystallography Open Database

Information card for entry 4306614

Preview

Coordinates	4306614.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Gd(^i^PrN)~2~CNEt~2~ (2b)
Formula	C33 H72 Gd N9
Calculated formula	C33 H72 Gd N9
SMILES	C1(=[N]([Gd]23([N](=C(N2C(C)C)N(CC)CC)C(C)C)([N](=C(N3C(C)C)N(CC)CC)C(C)C)N1C(C)C)C(C)C)N(CC)CC
Title of publication	Synthesis, Characterization, and Thermal Properties of Homoleptic Rare-Earth Guanidinates: Promising Precursors for MOCVD and ALD of Rare-Earth Oxide Thin Films
Authors of publication	Andrian P. Milanov; Roland A. Fischer; Anjana Devi
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11405 - 11416
a	22.2187 ± 0.0014 Å
b	13.1041 ± 0.0005 Å
c	17.3788 ± 0.0008 Å
α	90°
β	114.313 ± 0.006°
γ	90°
Cell volume	4611.2 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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	0.0719
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1656
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
179104 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/66.	4306614.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306614.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306614.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306614.cif