Crystallography Open Database

Information card for entry 4062231

Preview

Coordinates	4062231.cif

Structure parameters

Formula	C70 H92 N6 Na2 P4
Calculated formula	C70 H92 N6 Na2 P4
SMILES	[Na]12([N](C)(C)CC[N]1(C)C)P(c1ccccc1)(c1ccccc1)=C([P]2(c1ccccc1)c1ccccc1)CCC(=P1(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)[Na]12([N](C)(C)CC[N]2(C)C)[N](C)(C)CC[N](C)(C)[Na]12([N](C)(C)CC[N]1(C)C)P(c1ccccc1)(c1ccccc1)=C([P]2(c1ccccc1)c1ccccc1)CCC(=P1(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)[Na]12([N](C)(C)CC[N]2(C)C)[N](C)(C)CCN(C)C
Journal of publication	Organometallics
Year of publication	2003
a	27.3325 ± 0.0012 Å
b	11.2628 ± 0.0005 Å
c	24.076 ± 0.0011 Å
α	90°
β	111.651 ± 0.002°
γ	90°
Cell volume	6888.7 ± 0.5 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178518 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/22.	4062231.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4062231.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.	4062231.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4062231.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/'	4062231.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4062231.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.	4062231.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)	4062231.cif