Crystallography Open Database

Information card for entry 4340602

Preview

Coordinates	4340602.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Mo O4 P2
Calculated formula	C34 H32 Mo O4 P2
SMILES	[Mo]1([P](c2ccc3c4c(ccc([P]1(c1ccccc1)c1ccccc1)c24)CC3)(C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.
Authors of publication	Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8795 - 8808
a	13.85 ± 0.001 Å
b	14.5076 ± 0.0011 Å
c	30.183 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6064.7 ± 0.9 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340602.cif
122902	2014-09-06	cif/ Updating files of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 Original log message: Adding full bibliography for 4340598--4340607.cif.	4340602.cif
121011	2014-08-01	cif/ Adding structures of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 via cif-deposit CGI script.	4340602.cif