Crystallography Open Database

Information card for entry 7032575

Preview

Coordinates	7032575.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 Zr
Calculated formula	C27 H36 Zr
Title of publication	How big is a Cp? Novel cycloheptatrienyl zirconium complexes with tri-, tetra- and pentasubstituted cyclopentadienyl ligands.
Authors of publication	Bauer, Heiko; Glöckner, Andreas; Tagne Kuate, Alain C.; Schäfer, Sebastian; Sun, Yu; Freytag, Matthias; Tamm, Matthias; Walter, Marc D.; Sitzmann, Helmut
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	42
Pages of publication	15818 - 15828
a	20.828 ± 0.0002 Å
b	11.2237 ± 0.0001 Å
c	18.7759 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4389.19 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180031 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/25.	7032575.cif
126504	2014-11-06	cif/ Updating files of 7032574, 7032575, 7032576, 7032577, 7032578 Original log message: Adding full bibliography for 7032574--7032578.cif.	7032575.cif
123838	2014-09-16	cif/ Adding structures of 7032574, 7032575, 7032576, 7032577, 7032578 via cif-deposit CGI script.	7032575.cif