Crystallography Open Database

Information card for entry 7000184

Preview

Coordinates	7000184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H46 N4 P2 Pt
Calculated formula	C59 H46 N4 P2 Pt
SMILES	[Pt]123[P](C=NN2C2(c4ccccc4c4ccccc24)C2(N3N=C[P]1(c1ccccc1)c1ccccc1)c1ccccc1c1ccccc21)(c1ccccc1)c1ccccc1.c1(ccccc1)C
Title of publication	A novel fluorene-containing κ4-P2N2-tetradentate platinum(II) complex
Authors of publication	Elsegood, Mark R. J.; Lake, Andrew J.; Smith, Martin B.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	1
Pages of publication	30 - 32
a	12.0681 ± 0.0006 Å
b	15.7231 ± 0.0008 Å
c	25.0731 ± 0.0013 Å
α	90°
β	98.648 ± 0.002°
γ	90°
Cell volume	4703.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0652
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179679 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/01.	7000184.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000184.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000184.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000184.cif