Crystallography Open Database

Information card for entry 2018125

2018124 << 2018125 >> 2018126

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Structure parameters

Chemical name	Poly[bis(μ~3~-trimethylsilylmethanolato)tetrakis(μ~2~- trimethylsilylmethyl)dimagnesiumdisodium]
Formula	C24 H66 Mg2 Na2 O2 Si6
Calculated formula	C24 H66 Mg2 Na2 O2 Si6
SMILES	[Na]12[CH2]([Si](C)(C)C)[Mg]34[O]1(C[Si](C)(C)C)[Mg]1([CH2]2[Si](C)(C)C)[O]3(C[Si](C)(C)C)[Na]([CH2]4[Si](C)(C)C)[CH2]1[Si](C)(C)C
Title of publication	A new polymeric alkyl/alkoxide magnesium‒sodium inverse crown complex
Authors of publication	Baillie, Sharon E.; Blair, Victoria L.; Hevia, Eva; Kennedy, Alan R.
Journal of publication	Acta Crystallographica Section C
Year of publication	2011
Journal volume	67
Journal issue	7
Pages of publication	m249 - m251
a	9.8057 ± 0.0003 Å
b	18.1602 ± 0.0005 Å
c	11.8234 ± 0.0003 Å
α	90°
β	95.482 ± 0.003°
γ	90°
Cell volume	2095.8 ± 0.1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0588
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
180850 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81.	2018125.cif 2018125.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018125.cif 2018125.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018125.cif 2018125.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018125.cif 2018125.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2018125.cif 2018125.hkl
23417	2011-08-08	hkl/ Adding Fobs data for the recently deposited coordinates from IUCr.	2018125.cif 2018125.hkl
22924	2011-08-04	../uploads/cif-deposit/cod/cif Adding structures of 2018125 via cif-deposit CGI script.	2018125.cif