Crystallography Open Database

Information card for entry 7006884

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Structure parameters

Formula	C58 H80 O20 P2
Calculated formula	C58 H80 O20 P2
Title of publication	Synthesis, luminescence and ion-binding properties of palladium(II) complexes with 1,2-bis[di(benzo-15-crown-5)phosphino]ethane (dbcpe).
Authors of publication	Lu, Xiao-Xia; Cheng, Eddie Chung-Chin; Zhu, Nianyong; Yam, Vivian Wing-Wah
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	14
Pages of publication	1803 - 1808
a	21.426 ± 0.004 Å
b	5.227 ± 0.001 Å
c	27.398 ± 0.006 Å
α	90°
β	104.48 ± 0.03°
γ	90°
Cell volume	2970.9 ± 1.1 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.107
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.209
Weighted residual factors for all reflections included in the refinement	0.2309
Goodness-of-fit parameter for all reflections included in the refinement	0.987
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7006884.cif
179772	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/68.	7006884.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006884.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006884.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006884.cif