Crystallography Open Database

Information card for entry 4323357

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Structure parameters

Formula	C21 H14 Cr O5 Ti
Calculated formula	C84 H56 Cr4 O20 Ti4
Title of publication	Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1
Authors of publication	Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	1286 - 1295
a	12.361 ± 0.004 Å
b	12.487 ± 0.006 Å
c	12.531 ± 0.007 Å
α	90°
β	93.48 ± 0.04°
γ	90°
Cell volume	1930.6 ± 1.6 Å³
Cell temperature	20 K
Ambient diffraction temperature	20 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 significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.048
Goodness-of-fit parameter for significantly intense reflections	1.665
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4323357.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4323357.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323357.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323357.cif
23385	2011-08-07	../uploads/cif-deposit/cod/cif Adding structures of 4323357 via cif-deposit CGI script.	4323357.cif