Crystallography Open Database

Information card for entry 2020059

2020058 << 2020059 >> 2020060

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Structure parameters

Chemical name	Poly[]bis(methanolato-κ<i>O</i>)[μ~5~-5,10,15,20-tetrakis(pyridin-4-yl)porphyrin-κ^8^1κ<i>N</i>^5^:1'κ<i>N</i>^10^:1''κ<i>N</i>^15^:1'''κ<i>N</i>^20^:2κ^4^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^]copper(I)tin(II)] dichloridocuprate(I)],
Formula	C42 H30 Cl2 Cu2 N8 O2 Sn
Calculated formula	C42 H30 Cl2 Cu2 N8 O2 Sn
Title of publication	Diamondoid framework solid with Sn(OCH~3~)~2~‒tetrapyridylporphyrin linkers, Cu^I^ nodes and [Cu^I^Cl~2~]^{-^} counter-ions
Authors of publication	Titi, Hatem M.; Goldberg, Israel
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	8
a	10.334 ± 0.0002 Å
b	15.9714 ± 0.0004 Å
c	25.3074 ± 0.0007 Å
α	90°
β	93.277 ± 0.001°
γ	90°
Cell volume	4170.12 ± 0.18 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
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	0.0619
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181870 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00	2020059.cif 2020059.hkl
152110	2015-07-16	cif/ hkl/ Adding structures of 2020059 via cif-deposit CGI script.	2020059.cif 2020059.hkl