Crystallography Open Database

Information card for entry 4075563

Preview

Coordinates	4075563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H30 O4 P2 W
Calculated formula	C37 H30 O4 P2 W
SMILES	[W]1([P](C#CCCCCCC#C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound
Authors of publication	Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4150
a	10.3289 ± 0.0006 Å
b	13.7759 ± 0.0008 Å
c	22.9406 ± 0.0013 Å
α	90°
β	102.81 ± 0.001°
γ	90°
Cell volume	3183 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
178644 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/55.	4075563.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075563.cif
49313	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075563 via cif-deposit CGI script.	4075563.cif