Crystallography Open Database

Information card for entry 4300272

Preview

Coordinates	4300272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H41 B8 Cl4 Mn O3 P2 Pt
Calculated formula	C38 H41 B8 Cl4 Mn O3 P2 Pt
SMILES	[Mn]1234([B]5678([C]9%10([BH]%11%125[BH]5%13%10[BH]%1069[B]6927([H]3)[BH]25%10[BH]3%11%13[BH]62[Pt]248%1293[P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)[H]1)(C#[O])(C#[O])C#[O].C(Cl)Cl.C(Cl)Cl
Title of publication	Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes
Authors of publication	Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	8
Pages of publication	2815 - 2825
a	10.0647 ± 0.0011 Å
b	11.028 ± 0.0007 Å
c	20.0776 ± 0.0018 Å
α	86.511 ± 0.006°
β	77.386 ± 0.009°
γ	88.671 ± 0.008°
Cell volume	2170.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Duplicate of	4300795
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210163 (current)	2018-08-26	cif/4/30/ Updating bibliography in entries 4300269-4300272, 4300792-4300795. Marking entries 4300269-4300272 as duplicates of entries 4300792-4300795.	4300272.cif
130149	2015-01-27	cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command.	4300272.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300272.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4300272.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300272.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300272.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300272.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300272.cif