Crystallography Open Database

Information card for entry 7037522

Preview

Coordinates	7037522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H90 Mg2 N8 O4 P4
Calculated formula	C46 H90 Mg2 N8 O4 P4
SMILES	C(N1P2[N]3(C(C)(C)C)P(N(C(C)(C)C)[Mg]13([O]1CCCC1)[O]1CCCC1)N2c1ccc(cc1)N1P2N(C(C)(C)C)[Mg]3(N(C(C)(C)C)P1[N]23C(C)(C)C)([O]1CCCC1)[O]1CCCC1)(C)(C)C
Title of publication	Synthesis and structure of the extended phosphazane ligand [(1,4-C6H4){N(μ-PN(t)Bu)2N(t)Bu}2](4.).
Authors of publication	Sevilla, Raquel; Less, Robert J.; García-Rodríguez, Raúl; Bond, Andrew D.; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	1868 - 1871
a	10.4939 ± 0.0004 Å
b	17.4459 ± 0.0006 Å
c	16.1229 ± 0.0007 Å
α	90°
β	96.9488 ± 0.0016°
γ	90°
Cell volume	2930 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
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	0.1012
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176064 (current)	2016-02-05	cif/ Updating files of 7037519, 7037520, 7037521, 7037522 Original log message: Adding full bibliography for 7037519--7037522.cif.	7037522.cif
170711	2015-12-04	cif/ Adding structures of 7037519, 7037520, 7037521, 7037522 via cif-deposit CGI script.	7037522.cif