Crystallography Open Database

Information card for entry 4300138

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Coordinates	4300138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 Er N P2 Se2
Calculated formula	C34 H30 Er N P2 Se2
SMILES	[Er]123456789%10([Se]=P([N]2=P([Se]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([cH]1[cH]3[cH]4[cH]5[cH]16)[cH]1[cH]7[cH]8[cH]9[cH]1%10
Title of publication	Syntheses, Structures, and Properties of the Bis(cyclopentadienyl) Rare-Earth Imidodiphosphinochalcogenido Compounds Cp2Ln[N(QPPh2)2] (Ln = La, Gd, Er, or Yb for Q = Se; Ln = Yb for Q = S)
Authors of publication	Christopher G. Pernin; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1216 - 1221
a	9.704 ± 0.002 Å
b	12.222 ± 0.003 Å
c	13.98 ± 0.004 Å
α	88.23 ± 0.004°
β	87.487 ± 0.004°
γ	69.107 ± 0.004°
Cell volume	1547.3 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
120081 (current)	2014-07-12	Adding DOIs to range 4/30 structures.	4300138.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300138.cif
19562	2011-05-20	cif/4 Updating CIFs and SQL entries with data downloaded from Issue 6 of Inorg. Chem. 2000	4300138.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4300138.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300138.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300138.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300138.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300138.cif