Crystallography Open Database

Information card for entry 8102659

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Coordinates	8102659.cif

Structure parameters

Chemical name	1,1-Bis(pentamethylcyclopentadienyl)(1-<i>tert</i>-butylisocyanido) -2-trimethylsilyl-3-[(trimethylsilyl)ethynyl]hafnacyclopropene, C~35~H~57~HfNSi~2~
Formula	C35 H57 Hf N Si2
Calculated formula	C35 H57 Hf N Si2
Title of publication	Crystal structure of bis(pentamethylcyclopentadienyl)-(1-tert-butylisocyanido)-2-trimethylsilyl-3- [(trimethylsilyl)ethynyl]hafnacyclopropene, (C10H15)2(C5H9N)Hf(C10H18Si2)
Authors of publication	Torsten Beweries; Anke Spannenberg; Uwe Rosenthal
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	191
a	10.741 ± 0.0003 Å
b	16.2302 ± 0.0005 Å
c	21.6945 ± 0.0007 Å
α	90°
β	104.512 ± 0.002°
γ	90°
Cell volume	3661.3 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102659.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102659.cif
13398	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102659 via cif-deposit CGI script.	8102659.cif